{"title":"2-氨基乙硫醇和三乙烯四胺钴(III)配合物的晶体结构","authors":"Chika Kurogi, T. Yonemura","doi":"10.2116/XRAYSTRUCT.35.43","DOIUrl":null,"url":null,"abstract":"The structure of β (Nprim)-[Co(aet)(trien)]Cl 2 [aet: 2-aminoethanethiolate, trien: triethylenetetramine] was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in a triclinic space group P 1 with a = 8.279(3), b = 10.673(5), c = 10.696(4)Å, α = 64.70(3), β = 95.76(3), γ = 91.17(4) ° , V = 849.9(6)Å 3 , D calcd = 1.552 g/cm 3 , Z = 2. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1145, respectively, for all 3913 independent reflections. Central cobalt(III) atoms have an approximate octahedral geometry and are coordinated by five nitrogen atoms and one sulfur atom. The obtained compound from the major eluate is in the β (Nprim) form in which the sulfur atom is present in the trans position to a primary nitrogen atom of the triethylenetetramine (trien).","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.1000,"publicationDate":"2019-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal Structure of a Co(III) Complex with 2-Aminoethanethiol and Triethylenetetramine\",\"authors\":\"Chika Kurogi, T. Yonemura\",\"doi\":\"10.2116/XRAYSTRUCT.35.43\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The structure of β (Nprim)-[Co(aet)(trien)]Cl 2 [aet: 2-aminoethanethiolate, trien: triethylenetetramine] was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in a triclinic space group P 1 with a = 8.279(3), b = 10.673(5), c = 10.696(4)Å, α = 64.70(3), β = 95.76(3), γ = 91.17(4) ° , V = 849.9(6)Å 3 , D calcd = 1.552 g/cm 3 , Z = 2. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1145, respectively, for all 3913 independent reflections. Central cobalt(III) atoms have an approximate octahedral geometry and are coordinated by five nitrogen atoms and one sulfur atom. The obtained compound from the major eluate is in the β (Nprim) form in which the sulfur atom is present in the trans position to a primary nitrogen atom of the triethylenetetramine (trien).\",\"PeriodicalId\":23922,\"journal\":{\"name\":\"X-ray Structure Analysis Online\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.1000,\"publicationDate\":\"2019-07-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"X-ray Structure Analysis Online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2116/XRAYSTRUCT.35.43\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/XRAYSTRUCT.35.43","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal Structure of a Co(III) Complex with 2-Aminoethanethiol and Triethylenetetramine
The structure of β (Nprim)-[Co(aet)(trien)]Cl 2 [aet: 2-aminoethanethiolate, trien: triethylenetetramine] was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in a triclinic space group P 1 with a = 8.279(3), b = 10.673(5), c = 10.696(4)Å, α = 64.70(3), β = 95.76(3), γ = 91.17(4) ° , V = 849.9(6)Å 3 , D calcd = 1.552 g/cm 3 , Z = 2. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1145, respectively, for all 3913 independent reflections. Central cobalt(III) atoms have an approximate octahedral geometry and are coordinated by five nitrogen atoms and one sulfur atom. The obtained compound from the major eluate is in the β (Nprim) form in which the sulfur atom is present in the trans position to a primary nitrogen atom of the triethylenetetramine (trien).